SCHEMBL7716013

SCHEMBL7716013

CC(C)(C)OC(=O)NCCNC1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.50
DPP4 P27487 1/20 0.50
HTR1A P08908 1/20 0.46
CHRM4 P08173 2/20 0.44
CTSK P43235 3/20 0.44
CTSS P25774 1/20 0.44
DRD2 P14416 1/20 0.42
KDM4D Q6B0I6 1/20 0.41
EPHX1 P07099 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
KCNA3 P22001 1/20 0.41
PRKAA2 P54646 1/20 0.40
CHRM2 P08172 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5202966 0.85 CTSK (0.53) DPP4CTSKDRD2KDM4DGPR119
SCHEMBL13245164 0.85 PRKAA2 (0.53) CHRM4PRKAA2
SCHEMBL7013614 0.83 ITGB3 (0.49) DRD2KDM4DEPHX1GPR119
SCHEMBL7711219 0.83 DRD2 (0.48) CHRM4DRD2EPHX1KCNA3
SCHEMBL8665014 0.81 CTSK (0.57) CTSKDRD2KDM4DKCNA3
SCHEMBL7715921 0.80 FFAR4 (0.40) CHRM4CTSKDRD2EPHX1KCNA3
SCHEMBL7714679 0.79 CHRM4 (0.49) DPP4CHRM4DRD2KDM4DKCNA3
SCHEMBL7711061 0.78 CHRM4 (0.48) DPP4CHRM4KCNA3
SCHEMBL7716756 0.76 DRD2 (0.51) DRD2EPHX1CHRM2
SCHEMBL5619433 0.75 EPHX1 (0.60) CTSKDRD2EPHX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed